# generated using pymatgen
data_CaTm(NiIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14876029
_cell_length_b   5.14875975
_cell_length_c   5.02258067
_cell_angle_alpha   60.80741098
_cell_angle_beta   60.80741431
_cell_angle_gamma   62.20358553
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTm(NiIr)2
_chemical_formula_sum   'Ca1 Tm1 Ni2 Ir2'
_cell_volume   96.80628794
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.00232898  0.00232898  0.99767102  1.0
  Tm  Tm1  1  0.74967392  0.74967392  0.75032608  1.0
  Ni  Ni2  1  0.37471611  0.37471611  0.37521703  1.0
  Ni  Ni3  1  0.37471611  0.37471611  0.87535175  1.0
  Ir  Ir4  1  0.87440172  0.37416517  0.37571706  1.0
  Ir  Ir5  1  0.37416517  0.87440172  0.37571706  1.0